3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine

C15H24ClNO — CID 2249602

IUPAC3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1c(C)cc(Cl)cc1C
InChIInChI=1S/C15H24ClNO/c1-5-17(6-2)8-7-9-18-15-12(3)10-14(16)11-13(15)4/h10-11H,5-9H2,1-4H3
InChIKeyAQLCQKIRNLJUGA-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.07
Rot. Bonds7

About 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine

3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine (PubChem CID 2249602) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine
PubChem CID2249602
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOc1c(C)cc(Cl)cc1C
InChIInChI=1S/C15H24ClNO/c1-5-17(6-2)8-7-9-18-15-12(3)10-14(16)11-13(15)4/h10-11H,5-9H2,1-4H3
InChIKeyAQLCQKIRNLJUGA-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
CID 2245338
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
1-[4-[3-(diethylamino)propoxy]-3,5-dimethylphenyl]-3,3-diphenylpropan-1-one
CID 21331744
5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
CID 123438097
2-but-3-ynoxy-5-chloro-1,3-dimethylbenzene
CID 63656035
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
4-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylbutan-1-amine
CID 3039002
5-(4-chloro-2,6-dimethylphenoxy)pentanoic acid
CID 28971752
2-(3-bromopropoxy)-5-chloro-1-iodo-3-methylbenzene
CID 58516586
3-bromo-5-chloro-2-[2-(diethylamino)ethoxy]benzaldehyde
CID 22687475
4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450741

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine (CID 2249602) is 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine is CCN(CC)CCCOc1c(C)cc(Cl)cc1C.
What is the InChIKey of 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine?
The InChIKey is AQLCQKIRNLJUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-17(6-2)8-7-9-18-15-12(3)10-14(16)11-13(15)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine?
3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 2249602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).